2-[(4-phenoxyphenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid

Systemtic Name: 2-[(4-phenoxyphenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(4-phenoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(4-phenoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(4-phenoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC=NC=C2C(CC3=CC=CC=C3)(C(=O)O)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O4/c35-28(23-13-15-25(16-14-23)38-24-11-5-2-6-12-24)33-30(29(36)37,19-22-9-3-1-4-10-22)26-20-31-21-32-27(26)34-17-7-8-18-34/h1-6,9-16,20-21H,7-8,17-19H2,(H,33,35)(H,36,37)